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913983-33-2 | 1H-Pyrrolo[2,3-b]pyridine, 3-iodo-5-methoxy-
CAS No: 913983-33-2 Catalog No: AG00IGN3 MDL No:MFCD08741544
Product Description
Catalog Number:
AG00IGN3
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine, 3-iodo-5-methoxy-
CAS Number:
913983-33-2
Molecular Formula:
C8H7IN2O
Molecular Weight:
274.0584
MDL Number:
MFCD08741544
IUPAC Name:
3-iodo-5-methoxy-1H-pyrrolo[2,3-b]pyridine
InChI:
InChI=1S/C8H7IN2O/c1-12-5-2-6-7(9)4-11-8(6)10-3-5/h2-4H,1H3,(H,10,11)
InChI Key:
FKIMIWSUCKEXLD-UHFFFAOYSA-N
SMILES:
COc1cc2c(I)c[nH]c2nc1
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.96g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
274.061g/mol
Monoisotopic Mass:
273.96g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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